2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide

C25H26N4O2 — CID 110247749

IUPAC2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-18-21(24(30)27-16-19-10-4-2-5-11-19)17-26-23(28-18)22-14-8-9-15-29(22)25(31)20-12-6-3-7-13-20/h2-7,10-13,17,22H,8-9,14-16H2,1H3,(H,27,30)
InChIKeyQPGJGXOQZCNYQL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.08
Rot. Bonds5

About 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide

2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide (PubChem CID 110247749) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
PubChem CID110247749
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-18-21(24(30)27-16-19-10-4-2-5-11-19)17-26-23(28-18)22-14-8-9-15-29(22)25(31)20-12-6-3-7-13-20/h2-7,10-13,17,22H,8-9,14-16H2,1H3,(H,27,30)
InChIKeyQPGJGXOQZCNYQL-UHFFFAOYSA-N
XLogP4.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249032
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92640294
N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639592
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247737
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide (CID 110247749) is 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is QPGJGXOQZCNYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-21(24(30)27-16-19-10-4-2-5-11-19)17-26-23(28-18)22-14-8-9-15-29(22)25(31)20-12-6-3-7-13-20/h2-7,10-13,17,22H,8-9,14-16H2,1H3,(H,27,30).
What are the key properties of 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide?
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).